COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK811206
Chemical Name: (5Z)-3-(2-ethylhexyl)-5-({3-[4-(naphthalen-1-ylmethoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2cccc3c2cccc3)c2ccccc2)/C1=O)CC

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Molecular Weight: 631.86
Empirical Formula: C38H37N3O2S2

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 10.16
Rotatable bonds: 9
H-donors: 0
H-acceptors: 2
PSA: 104
Number of rings: 6

     

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